Detailed information for compound 1659819

Basic information

Technical information
  • TDR Targets ID: 1659819
  • Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N -(2-dimethylaminoethyl)-3-methylsulfonylbenza mide hydrochloride
  • MW: 488.451 | Formula: C20H23Cl2N3O3S2
  • H donors: 0 H acceptors: 4 LogP: 4.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCN(C(=O)c1cccc(c1)S(=O)(=O)C)c1sc2c(n1)c(C)ccc2Cl)C.Cl
  • InChi: 1S/C20H22ClN3O3S2.ClH/c1-13-8-9-16(21)18-17(13)22-20(28-18)24(11-10-23(2)3)19(25)14-6-5-7-15(12-14)29(4,26)27;/h5-9,12H,10-11H2,1-4H3;1H
  • InChiKey: BZRGJGXYLIILRU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-methylsulfonyl-benzamide hydrochloride
  • N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-mesyl-benzamide hydrochloride

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0041 0.1267 0.5
Schistosoma mansoni tar DNA-binding protein 0.0146 0.7096 0.7096
Brugia malayi RNA binding protein 0.0146 0.7096 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.1022 0.144
Loa Loa (eye worm) hypothetical protein 0.0036 0.1022 0.144
Echinococcus multilocularis GPCR, family 2 0.0036 0.1022 0.1022
Echinococcus multilocularis tar DNA binding protein 0.0146 0.7096 0.7096
Schistosoma mansoni hypothetical protein 0.0036 0.1022 0.1022
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0146 0.7096 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.1022 0.1022
Schistosoma mansoni hypothetical protein 0.0036 0.1022 0.1022
Schistosoma mansoni hypothetical protein 0.0036 0.1022 0.1022
Brugia malayi Calcitonin receptor-like protein seb-1 0.0115 0.5373 0.7572
Echinococcus granulosus GPCR family 2 0.0036 0.1022 0.1022
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.6506 0.9169
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.6506 0.9169
Schistosoma mansoni tar DNA-binding protein 0.0146 0.7096 0.7096
Schistosoma mansoni tar DNA-binding protein 0.0146 0.7096 0.7096
Brugia malayi RNA recognition motif domain containing protein 0.0146 0.7096 1
Schistosoma mansoni hypothetical protein 0.0198 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.1022 0.1022
Entamoeba histolytica hypothetical protein 0.0041 0.1267 0.5
Schistosoma mansoni hypothetical protein 0.0198 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0115 0.5373 0.7572
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0 0.5
Entamoeba histolytica hypothetical protein 0.0041 0.1267 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0 0.5
Echinococcus multilocularis geminin 0.0198 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.1267 0.1267
Loa Loa (eye worm) hypothetical protein 0.0115 0.5373 0.7572
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.1267 0.1267
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0146 0.7096 0.7096
Schistosoma mansoni hypothetical protein 0.0036 0.1022 0.1022
Entamoeba histolytica hypothetical protein 0.0041 0.1267 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.3359 0.4734
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0146 0.7096 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0115 0.5373 0.7572
Brugia malayi MH2 domain containing protein 0.0135 0.6506 0.9169
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.1022 0.1022
Brugia malayi Latrophilin receptor protein 2 0.0036 0.1022 0.144
Brugia malayi TAR-binding protein 0.0146 0.7096 1
Schistosoma mansoni hypothetical protein 0.0041 0.1267 0.1267
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0146 0.7096 0.7096
Loa Loa (eye worm) RNA binding protein 0.0146 0.7096 1
Brugia malayi latrophilin 2 splice variant baaae 0.0078 0.3359 0.4734
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.1022 0.144
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0146 0.7096 0.7096
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.1022 0.1022
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.1267 0.1267
Brugia malayi hypothetical protein 0.0041 0.1267 0.1786
Schistosoma mansoni hypothetical protein 0.0078 0.3359 0.3359

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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